#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d2m n THR 3 N 6.65 0.00 -0.12 0.00 -2.24 -1.26 -4.62 114.28 112.69 2d2m n THR 3 Ca 0.48 -0.17 -0.05 0.00 -2.27 0.00 0.00 64.05 62.04 2d2m n THR 3 Cb 0.42 -0.66 0.03 0.00 -2.10 0.00 0.00 70.33 68.02 2d2m n THR 3 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2d2m h SER 4 N -1.61 0.19 -0.58 3.42 4.64 -1.99 0.26 113.55 117.88 2d2m h SER 4 Ca -0.43 0.04 0.08 0.00 -0.47 0.00 0.00 61.79 61.01 2d2m h SER 4 Cb 1.28 0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 63.35 2d2m h SER 4 CO 0.35 0.15 0.39 -0.07 -0.87 0.00 0.00 176.83 176.77 2d2m h LEU 5 N 0.33 0.40 0.16 5.97 3.38 -1.99 0.83 115.31 124.39 2d2m h LEU 5 Ca 0.18 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2d2m h LEU 5 Cb 0.15 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2d2m h LEU 5 CO -0.17 0.25 -0.08 0.78 0.09 0.00 0.00 178.44 179.31 2d2m h ASN 6 N 0.45 -0.18 -1.01 -0.43 2.35 -1.32 -0.60 115.58 114.84 2d2m h ASN 6 Ca 0.26 -0.23 0.24 0.00 -0.55 0.00 0.00 56.30 56.02 2d2m h ASN 6 Cb 0.45 0.05 -0.12 0.00 0.05 0.00 0.00 38.32 38.74 2d2m h ASN 6 CO -0.07 0.15 0.60 0.03 -1.65 0.00 0.00 177.43 176.48 2d2m h ARG 7 N -0.52 0.58 0.63 0.81 3.08 -0.00 1.50 114.38 120.45 2d2m h ARG 7 Ca -0.02 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 2d2m h ARG 7 Cb 0.40 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2d2m h ARG 7 CO 0.04 0.38 -0.35 -0.07 -1.07 0.00 0.00 179.97 178.90 2d2m h LEU 8 N 0.59 -0.86 -1.24 3.04 3.38 -0.25 0.44 115.31 120.42 2d2m h LEU 8 Ca 0.64 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.76 2d2m h LEU 8 Cb 1.20 0.24 -0.07 0.00 0.09 0.00 0.00 40.66 42.13 2d2m h LEU 8 CO -0.46 -0.56 0.57 0.25 0.09 0.00 0.00 178.44 178.34 2d2m h LEU 9 N -0.90 0.74 -0.46 1.67 6.46 0.73 -0.54 115.31 123.00 2d2m h LEU 9 Ca -0.09 0.03 -0.15 0.00 -0.12 0.00 0.00 57.88 57.56 2d2m h LEU 9 Cb 0.71 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.51 2d2m h LEU 9 CO 0.11 0.41 -0.33 0.58 -0.62 0.00 0.00 178.44 178.59 2d2m h VAL 10 N 0.81 1.27 -0.20 1.05 2.07 0.23 -1.59 116.25 119.88 2d2m h VAL 10 Ca 0.42 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 2d2m h VAL 10 Cb 0.52 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 2d2m h VAL 10 CO -0.19 0.50 0.05 0.11 0.02 0.00 0.00 177.57 178.07 2d2m h LYS 11 N 0.76 0.31 0.26 1.57 1.57 0.95 -2.07 116.57 119.91 2d2m h LYS 11 Ca 0.07 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2d2m h LYS 11 Cb 0.91 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.18 2d2m h LYS 11 CO 0.08 0.43 -0.15 -0.09 -0.57 0.00 0.00 179.45 179.16 2d2m h ARG 12 N 0.14 -0.36 -0.64 3.15 2.43 -1.09 -1.54 114.38 116.48 2d2m h ARG 12 Ca 0.06 0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.39 2d2m h ARG 12 Cb 0.25 0.08 -0.11 0.00 -0.42 0.00 0.00 29.97 29.78 2d2m h ARG 12 CO -0.00 -0.24 0.00 1.96 -1.51 0.00 0.00 179.97 180.18 2d2m h GLN 13 N -0.38 0.11 -0.45 0.20 4.20 -1.38 0.36 115.11 117.79 2d2m h GLN 13 Ca -0.03 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.72 2d2m h GLN 13 Cb 0.30 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 2d2m h GLN 13 CO 0.04 0.07 0.30 2.35 -0.67 0.00 0.00 178.83 180.92 2d2m h TRP 14 N 0.12 0.39 0.76 2.96 2.91 -1.35 0.55 115.95 122.28 2d2m h TRP 14 Ca 0.33 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.33 2d2m h TRP 14 Cb 0.55 -0.13 0.01 0.00 -0.51 0.00 0.00 29.16 29.07 2d2m h TRP 14 CO -0.38 0.22 -0.36 0.00 -1.03 0.00 0.00 178.44 176.89 2d2m h ALA 15 N 1.76 -1.25 -0.57 2.65 0.00 0.78 0.61 119.26 123.22 2d2m h ALA 15 Ca 0.19 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 54.99 2d2m h ALA 15 Cb 0.26 0.39 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 2d2m h ALA 15 CO -0.05 -1.18 -0.06 1.49 0.00 0.00 0.00 179.25 179.46 2d2m h GLU 16 N -1.03 0.07 0.81 0.00 4.81 -0.65 -2.56 114.58 116.03 2d2m h GLU 16 Ca -0.10 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 2d2m h GLU 16 Cb 0.78 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2d2m h GLU 16 CO 0.17 0.04 -0.47 0.00 -0.73 0.00 0.00 179.01 178.03 2d2m h ALA 17 N 1.54 -1.28 -0.34 2.92 0.00 0.29 -3.38 119.26 119.01 2d2m h ALA 17 Ca 0.29 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 2d2m h ALA 17 Cb 0.46 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 2d2m h ALA 17 CO -0.53 -1.23 0.83 0.98 0.00 0.00 0.00 179.25 179.31 2d2m n TYR 18 N -5.42 0.82 0.00 0.00 -0.00 0.21 -4.89 117.16 107.88 2d2m n TYR 18 Ca -0.15 0.02 0.00 0.00 -0.00 0.00 0.00 57.90 57.77 2d2m n TYR 18 Cb 0.49 -1.99 0.00 0.00 -0.00 0.00 0.00 39.34 37.84 2d2m n TYR 18 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2d2m n GLY 19 N 6.34 -2.88 3.09 2.98 0.00 -1.26 -4.89 105.19 108.58 2d2m n GLY 19 Ca 0.53 -0.98 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 2d2m n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2d2m s GLU 20 N -0.15 1.05 7.71 1.61 2.02 -1.26 -4.67 118.70 125.00 2d2m s GLU 20 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.52 2d2m s GLU 20 Cb 0.00 -1.01 0.00 0.00 0.10 0.00 0.00 34.13 33.22 2d2m s GLU 20 CO 0.00 0.28 0.00 0.41 0.02 0.00 0.00 175.26 175.97 2d2m n GLY 21 N 2.75 3.38 0.62 -1.39 0.00 -1.26 -1.78 105.19 107.51 2d2m n GLY 21 Ca -0.14 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.00 2d2m n GLY 21 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2d2m n THR 22 N 0.00 0.00 0.22 2.61 -2.24 -1.26 -3.83 114.28 109.78 2d2m n THR 22 Ca 0.00 -0.32 0.08 0.00 -2.27 0.00 0.00 64.05 61.54 2d2m n THR 22 Cb 0.00 0.79 0.49 0.00 -2.10 0.00 0.00 70.33 69.50 2d2m n THR 22 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2d2m h ASN 23 N 3.02 0.00 0.08 3.42 -0.26 -1.71 -0.71 115.58 119.43 2d2m h ASN 23 Ca 0.00 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.69 2d2m h ASN 23 Cb 0.64 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.89 2d2m h ASN 23 CO 0.00 0.26 -0.15 0.03 -1.06 0.00 0.00 177.43 176.51 2d2m h ARG 24 N 0.00 0.16 -0.60 0.81 3.08 -1.74 -0.34 114.38 115.75 2d2m h ARG 24 Ca -0.00 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2d2m h ARG 24 Cb 0.66 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 2d2m h ARG 24 CO 0.03 0.32 0.36 0.93 -1.07 0.00 0.00 179.97 180.55 2d2m h GLU 25 N 0.15 0.82 -0.36 0.04 5.08 -1.36 1.55 114.58 120.49 2d2m h GLU 25 Ca 0.03 -0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.38 2d2m h GLU 25 Cb 0.37 -0.17 -0.09 0.00 0.50 0.00 0.00 28.75 29.36 2d2m h GLU 25 CO 0.02 0.58 -0.44 1.25 -1.00 0.00 0.00 179.01 179.43 2d2m h LEU 26 N 0.81 -1.45 0.20 1.33 7.12 -1.03 0.43 115.31 122.73 2d2m h LEU 26 Ca 0.22 0.21 -0.01 0.00 0.13 0.00 0.00 57.88 58.43 2d2m h LEU 26 Cb -0.02 0.62 0.00 0.00 -0.53 0.00 0.00 40.66 40.73 2d2m h LEU 26 CO -0.04 -0.38 -0.10 0.25 -0.13 0.00 0.00 178.44 178.04 2d2m h LEU 27 N -0.36 -0.22 -0.49 2.25 5.85 -1.11 -2.28 115.31 118.95 2d2m h LEU 27 Ca 0.12 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.82 2d2m h LEU 27 Cb 0.59 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.62 2d2m h LEU 27 CO -0.55 -0.07 -0.34 1.23 -0.34 0.00 0.00 178.44 178.37 2d2m h GLY 28 N -0.36 -1.57 0.40 3.75 0.00 0.37 0.19 103.07 105.85 2d2m h GLY 28 Ca -0.03 0.90 0.09 0.00 0.00 0.00 0.00 47.33 48.30 2d2m h GLY 28 CO 0.04 -0.40 0.24 3.43 0.00 0.00 0.00 176.54 179.86 2d2m h ASN 29 N -0.07 0.25 -0.76 0.19 2.35 -0.22 -2.12 115.58 115.20 2d2m h ASN 29 Ca 0.08 0.08 0.14 0.00 -0.55 0.00 0.00 56.30 56.04 2d2m h ASN 29 Cb 0.27 0.05 -0.14 0.00 0.05 0.00 0.00 38.32 38.55 2d2m h ASN 29 CO -0.49 0.15 -0.27 -0.09 -1.65 0.00 0.00 177.43 175.07 2d2m h ARG 30 N 0.43 -0.05 -0.04 0.81 2.43 -0.38 0.65 114.38 118.23 2d2m h ARG 30 Ca 0.31 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.35 2d2m h ARG 30 Cb 0.37 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 2d2m h ARG 30 CO -0.30 -0.04 -0.58 -0.84 -1.51 0.00 0.00 179.97 176.70 2d2m h ILE 31 N -0.05 1.40 0.05 1.20 -0.00 -0.73 -3.14 117.51 116.23 2d2m h ILE 31 Ca 0.33 -1.96 -0.00 0.00 -0.00 0.00 0.00 64.86 63.22 2d2m h ILE 31 Cb 0.58 2.02 0.00 0.00 -0.00 0.00 0.00 36.82 39.41 2d2m h ILE 31 CO -0.80 0.57 -0.02 -0.50 -0.00 0.00 0.00 178.15 177.40 2d2m h TRP 32 N 0.10 -0.06 -0.78 0.16 4.06 0.03 -1.94 115.95 117.52 2d2m h TRP 32 Ca -0.00 -0.00 0.23 0.00 2.06 0.00 0.00 58.89 61.17 2d2m h TRP 32 Cb 1.06 0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 29.21 2d2m h TRP 32 CO 0.01 0.56 0.58 0.93 -3.56 0.00 0.00 178.44 176.96 2d2m h GLU 33 N -0.81 0.00 0.18 0.49 5.08 0.03 0.44 114.58 119.98 2d2m h GLU 33 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2d2m h GLU 33 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2d2m h GLU 33 CO 0.01 0.00 -0.09 0.22 -1.00 0.00 0.00 179.01 178.15 2d2m h ASP 34 N 0.00 -0.21 -0.70 1.42 3.58 -1.54 -3.10 116.42 115.87 2d2m h ASP 34 Ca 0.37 0.01 0.15 0.00 0.42 0.00 0.00 57.03 57.97 2d2m h ASP 34 Cb 1.52 0.05 -0.13 0.00 1.72 0.00 0.00 39.33 42.49 2d2m h ASP 34 CO -0.00 0.14 -0.12 0.25 -2.88 0.00 0.00 179.24 176.62 2d2m h LEU 35 N -0.82 -0.56 0.00 2.28 5.85 -0.52 0.55 115.31 122.09 2d2m h LEU 35 Ca -0.02 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2d2m h LEU 35 Cb 0.19 0.40 0.00 0.00 0.37 0.00 0.00 40.66 41.62 2d2m h LEU 35 CO 0.04 -0.21 0.00 0.49 -0.34 0.00 0.00 178.44 178.42 2d2m n PHE 36 N -5.43 0.00 0.00 1.25 0.99 0.07 -1.37 117.46 112.97 2d2m n PHE 36 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.55 2d2m n PHE 36 Cb 0.38 -0.19 0.00 0.00 -1.00 0.00 0.00 39.48 38.67 2d2m n PHE 36 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2d2m n ALA 37 N -1.19 0.00 0.04 4.37 0.00 0.19 -3.26 120.51 120.65 2d2m n ALA 37 Ca 0.10 -0.13 0.21 0.00 0.00 0.00 0.00 53.44 53.62 2d2m n ALA 37 Cb 0.11 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.30 2d2m n ALA 37 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2d2m h ASN 38 N 0.00 0.00 -2.23 0.00 2.35 -1.44 -3.16 115.58 111.10 2d2m h ASN 38 Ca 0.00 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.17 2d2m h ASN 38 Cb 0.00 0.00 -0.39 0.00 0.05 0.00 0.00 38.32 37.98 2d2m h ASN 38 CO 0.00 0.00 -0.99 0.80 -1.65 0.00 0.00 177.43 175.59 2d2m n MET 39 N -3.96 0.66 0.13 0.81 1.56 -0.47 -4.95 117.12 110.91 2d2m n MET 39 Ca 0.09 -3.36 0.06 0.00 -0.27 0.00 0.00 57.70 54.22 2d2m n MET 39 Cb 0.65 -1.54 0.52 0.00 2.15 0.00 0.00 33.22 35.01 2d2m n MET 39 CO 0.00 0.00 0.00 -1.35 -0.73 0.00 0.00 175.97 173.89 2d2m h PRO 40 N 4.79 0.25 0.00 2.12 0.11 -1.53 -1.61 132.00 136.15 2d2m h PRO 40 Ca 0.17 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2d2m h PRO 40 Cb 0.87 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2d2m h PRO 40 CO 0.46 0.19 0.00 -3.47 -0.21 0.00 0.00 178.00 174.97 2d2m n ASP 41 N -4.48 0.00 0.01 -2.05 4.64 -1.26 -1.85 116.55 111.56 2d2m n ASP 41 Ca -0.00 0.08 0.11 0.00 -1.38 0.00 0.00 54.79 53.59 2d2m n ASP 41 Cb 0.10 -0.16 -0.08 0.00 -1.04 0.00 0.00 41.12 39.94 2d2m n ASP 41 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2d2m n ALA 42 N -1.16 3.55 0.31 -1.67 0.00 -0.60 -4.22 120.51 116.71 2d2m n ALA 42 Ca 0.02 -0.49 0.20 0.00 0.00 0.00 0.00 53.44 53.17 2d2m n ALA 42 Cb 0.02 -0.85 0.95 0.00 0.00 0.00 0.00 19.45 19.57 2d2m n ALA 42 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2d2m h ARG 43 N 0.00 0.00 0.00 0.00 2.43 -1.54 -2.75 114.38 112.52 2d2m h ARG 43 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2d2m h ARG 43 Cb 0.76 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 2d2m h ARG 43 CO 0.00 0.01 -0.22 0.78 -1.51 0.00 0.00 179.97 179.03 2d2m h GLY 44 N 0.95 0.00 2.00 2.80 0.00 -1.78 -2.75 103.07 104.30 2d2m h GLY 44 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2d2m h GLY 44 CO 0.00 0.00 -0.02 1.41 0.00 0.00 0.00 176.54 177.93 2d2m h LEU 45 N 0.00 0.00 -3.56 3.11 -0.00 -1.78 -2.86 115.31 110.22 2d2m h LEU 45 Ca -0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 57.64 2d2m h LEU 45 Cb 0.59 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 41.11 2d2m h LEU 45 CO 0.03 0.02 0.17 0.49 -0.00 0.00 0.00 178.44 179.15 2d2m n PHE 46 N -3.14 1.79 0.25 1.13 3.01 -1.04 -4.63 117.46 114.83 2d2m n PHE 46 Ca -0.01 -1.48 0.15 0.00 1.01 0.00 0.00 57.45 57.13 2d2m n PHE 46 Cb 0.22 -0.61 0.83 0.00 -0.01 0.00 0.00 39.48 39.91 2d2m n PHE 46 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2d2m h SER 47 N 1.43 0.00 0.09 4.37 4.64 -1.63 0.61 113.55 123.06 2d2m h SER 47 Ca 0.30 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.37 2d2m h SER 47 Cb 2.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.13 2d2m h SER 47 CO 0.60 0.00 -1.24 -0.09 -0.87 0.00 0.00 176.83 175.22 2d2m h ARG 48 N 0.00 0.20 -0.61 4.77 2.43 -1.88 -3.31 114.38 115.98 2d2m h ARG 48 Ca 0.00 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 2d2m h ARG 48 Cb 0.16 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2d2m h ARG 48 CO 0.00 1.16 0.00 1.33 -1.51 0.00 0.00 179.97 180.95 2d2m n VAL 49 N -4.05 0.99 -2.98 0.20 0.24 -0.99 -4.90 118.33 106.83 2d2m n VAL 49 Ca -0.24 -0.60 -0.12 0.00 -2.04 0.00 0.00 64.34 61.34 2d2m n VAL 49 Cb 0.84 -0.12 0.06 0.00 -1.47 0.00 0.00 33.84 33.15 2d2m n VAL 49 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2d2m n ASN 50 N 0.41 -3.60 0.19 -1.34 4.05 -0.59 0.08 115.26 114.46 2d2m n ASN 50 Ca 0.13 -0.51 0.11 0.00 0.45 0.00 0.00 54.58 54.76 2d2m n ASN 50 Cb 0.54 -4.08 0.58 0.00 1.23 0.00 0.00 39.78 38.06 2d2m n ASN 50 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 2d2m h GLY 51 N -1.18 0.00 1.51 8.20 0.00 -0.07 -1.49 103.07 110.04 2d2m h GLY 51 Ca -0.46 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.68 2d2m h GLY 51 CO 0.36 0.00 -0.72 3.43 0.00 0.00 0.00 176.54 179.61 2d2m h ASN 52 N 0.00 0.57 -2.30 0.19 -0.26 -1.82 -3.34 115.58 108.63 2d2m h ASN 52 Ca 0.00 -0.37 -0.68 0.00 -0.56 0.00 0.00 56.30 54.69 2d2m h ASN 52 Cb 0.26 -0.17 -0.36 0.00 -1.06 0.00 0.00 38.32 37.00 2d2m h ASN 52 CO 0.00 1.12 0.06 -0.67 -1.06 0.00 0.00 177.43 176.87 2d2m n ASP 53 N -3.86 5.62 -0.23 5.81 -0.08 -0.56 -4.92 116.55 118.33 2d2m n ASP 53 Ca -0.05 -3.66 0.19 0.00 -1.51 0.00 0.00 54.79 49.76 2d2m n ASP 53 Cb 0.71 -0.83 0.31 0.00 2.34 0.00 0.00 41.12 43.65 2d2m n ASP 53 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2d2m n ILE 54 N -0.04 -0.08 1.51 5.18 5.41 -1.26 0.15 119.36 130.23 2d2m n ILE 54 Ca 0.37 0.74 0.15 0.00 1.00 0.00 0.00 62.75 65.01 2d2m n ILE 54 Cb 0.34 -1.22 0.70 0.00 -0.71 0.00 0.00 39.64 38.75 2d2m n ILE 54 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2d2m n ASP 55 N -3.34 0.31 -4.76 4.38 8.00 -1.26 -4.13 116.55 115.76 2d2m n ASP 55 Ca 0.18 -0.56 -0.30 0.00 0.71 0.00 0.00 54.79 54.82 2d2m n ASP 55 Cb 0.73 -0.12 0.11 0.00 -0.02 0.00 0.00 41.12 41.82 2d2m n ASP 55 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2d2m s SER 56 N -2.41 4.13 0.12 -2.24 1.04 0.40 -4.85 113.70 109.89 2d2m s SER 56 Ca 0.32 1.57 -0.18 0.00 0.48 0.00 0.00 55.95 58.14 2d2m s SER 56 Cb 0.20 -2.28 -0.04 0.00 0.10 0.00 0.00 66.02 64.01 2d2m s SER 56 CO 0.45 -2.23 1.66 0.28 0.98 0.00 0.00 173.24 174.37 2d2m h SER 57 N -1.27 0.44 -0.09 7.02 0.02 -1.91 -0.82 113.55 116.95 2d2m h SER 57 Ca -0.47 -0.17 0.01 0.00 -0.84 0.00 0.00 61.79 60.32 2d2m h SER 57 Cb 1.26 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.66 2d2m h SER 57 CO 0.55 0.49 -0.16 -0.33 -1.14 0.00 0.00 176.83 176.24 2d2m h GLU 58 N 0.36 -0.13 -0.09 3.45 3.07 -1.93 0.95 114.58 120.27 2d2m h GLU 58 Ca 0.11 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.94 2d2m h GLU 58 Cb 0.19 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 2d2m h GLU 58 CO -0.01 -0.08 -0.08 0.35 -1.40 0.00 0.00 179.01 177.78 2d2m h PHE 59 N -0.13 0.13 -0.48 4.33 3.57 -0.38 -1.67 116.94 122.30 2d2m h PHE 59 Ca 0.02 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 2d2m h PHE 59 Cb 0.18 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2d2m h PHE 59 CO -0.59 0.22 -0.11 0.37 -2.23 0.00 0.00 178.31 175.97 2d2m h GLN 60 N 0.12 0.93 0.04 1.11 5.75 -0.50 1.18 115.11 123.74 2d2m h GLN 60 Ca 0.03 -0.35 -0.00 0.00 -0.15 0.00 0.00 58.65 58.17 2d2m h GLN 60 Cb 0.23 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.73 2d2m h GLN 60 CO 0.01 1.01 -0.03 0.00 -2.65 0.00 0.00 178.83 177.18 2d2m h ALA 61 N 0.89 -0.85 -0.75 3.38 0.00 -0.35 0.17 119.26 121.75 2d2m h ALA 61 Ca 0.12 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.12 2d2m h ALA 61 Cb 0.66 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 18.54 2d2m h ALA 61 CO 0.05 -0.85 -0.35 1.58 0.00 0.00 0.00 179.25 179.67 2d2m n HIS 62 N -2.36 -0.12 -0.02 0.00 -0.00 -0.67 0.65 115.22 112.70 2d2m n HIS 62 Ca -0.01 0.93 -0.10 0.00 -0.00 0.00 0.00 57.72 58.54 2d2m n HIS 62 Cb 0.03 -0.69 -0.03 0.00 -0.00 0.00 0.00 29.99 29.29 2d2m n HIS 62 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 2d2m h SER 63 N 0.00 -0.91 -0.92 0.26 0.87 0.16 -0.16 113.55 112.85 2d2m h SER 63 Ca 0.20 0.15 0.08 0.00 -1.23 0.00 0.00 61.79 60.99 2d2m h SER 63 Cb 0.39 0.40 -0.07 0.00 -0.44 0.00 0.00 62.40 62.69 2d2m h SER 63 CO -0.73 -0.32 0.57 -0.07 -0.53 0.00 0.00 176.83 175.75 2d2m h LEU 64 N -0.33 0.88 -0.19 2.23 3.38 0.23 -1.58 115.31 119.94 2d2m h LEU 64 Ca 0.11 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.14 2d2m h LEU 64 Cb 0.51 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2d2m h LEU 64 CO -0.37 0.54 0.00 0.03 0.09 0.00 0.00 178.44 178.73 2d2m h ARG 65 N 1.01 0.06 -0.39 1.13 3.08 0.51 -0.76 114.38 119.01 2d2m h ARG 65 Ca 0.41 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.54 2d2m h ARG 65 Cb 0.25 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.21 2d2m h ARG 65 CO -0.20 0.04 -0.05 0.28 -1.07 0.00 0.00 179.97 178.97 2d2m h VAL 66 N 0.06 0.65 0.00 2.04 2.07 -0.12 0.41 116.25 121.37 2d2m h VAL 66 Ca 0.09 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 2d2m h VAL 66 Cb 0.11 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2d2m h VAL 66 CO -0.15 0.01 -0.03 -0.07 0.02 0.00 0.00 177.57 177.35 2d2m h LEU 67 N 0.05 0.00 0.95 2.57 4.07 -0.96 -0.40 115.31 121.58 2d2m h LEU 67 Ca 0.19 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.11 2d2m h LEU 67 Cb 0.29 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.03 2d2m h LEU 67 CO -0.37 0.03 -0.46 1.23 -1.08 0.00 0.00 178.44 177.80 2d2m h GLY 68 N 0.09 -1.33 0.41 0.83 0.00 0.13 -0.54 103.07 102.65 2d2m h GLY 68 Ca -0.00 0.49 0.04 0.00 0.00 0.00 0.00 47.33 47.86 2d2m h GLY 68 CO 0.00 -0.48 -0.22 -1.33 0.00 0.00 0.00 176.54 174.51 2d2m h GLY 69 N -1.29 -0.27 1.37 4.60 0.00 -0.76 0.12 103.07 106.83 2d2m h GLY 69 Ca -0.13 0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.47 2d2m h GLY 69 CO 0.21 -0.19 0.31 -2.00 0.00 0.00 0.00 176.54 174.87 2d2m h LEU 70 N -0.32 0.00 0.00 3.11 5.85 -1.00 0.42 115.31 123.37 2d2m h LEU 70 Ca 0.08 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.58 2d2m h LEU 70 Cb 0.43 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 2d2m h LEU 70 CO -0.24 0.00 -1.24 -0.78 -0.34 0.00 0.00 178.44 175.83 2d2m h ASP 71 N 0.00 0.00 0.25 1.25 3.58 0.90 -3.08 116.42 119.32 2d2m h ASP 71 Ca 0.01 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 2d2m h ASP 71 Cb 0.63 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.68 2d2m h ASP 71 CO -0.00 0.88 -0.12 0.24 -2.88 0.00 0.00 179.24 177.35 2d2m h MET 72 N 0.00 -0.33 -0.34 0.28 2.86 0.51 -0.76 114.93 117.14 2d2m h MET 72 Ca -0.13 0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.61 2d2m h MET 72 Cb 1.78 0.07 -0.08 0.00 0.06 0.00 0.00 31.60 33.43 2d2m h MET 72 CO 0.09 -0.02 -0.28 0.00 1.06 0.00 0.00 176.91 177.77 2d2m h VAL 74 N -0.24 0.68 0.00 0.00 2.07 -1.52 0.75 116.25 117.99 2d2m h VAL 74 Ca 0.16 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 2d2m h VAL 74 Cb 0.50 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2d2m h VAL 74 CO -0.48 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.07 2d2m h ALA 75 N 0.89 1.32 0.00 1.67 0.00 0.16 -1.86 119.26 121.44 2d2m h ALA 75 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2d2m h ALA 75 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2d2m h ALA 75 CO -0.18 0.05 -1.02 0.45 0.00 0.00 0.00 179.25 178.55 2d2m n SER 76 N -3.59 0.82 -0.63 0.00 2.88 0.25 -4.54 113.62 108.80 2d2m n SER 76 Ca -0.02 -0.75 0.49 0.00 -1.33 0.00 0.00 58.87 57.25 2d2m n SER 76 Cb 0.14 0.97 0.76 0.00 -0.75 0.00 0.00 64.21 65.34 2d2m n SER 76 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2d2m n LEU 77 N -1.60 0.05 -0.03 2.46 4.77 0.25 -0.22 117.00 122.68 2d2m n LEU 77 Ca 0.03 1.06 -0.17 0.00 -0.03 0.00 0.00 56.01 56.91 2d2m n LEU 77 Cb 0.36 -0.53 -0.07 0.00 -2.33 0.00 0.00 43.42 40.85 2d2m n LEU 77 CO 0.42 -1.09 0.29 0.44 -1.33 0.00 0.00 177.39 176.12 2d2m h ASP 78 N 0.00 0.92 -3.11 -1.43 5.19 -1.80 -3.40 116.42 112.79 2d2m h ASP 78 Ca 0.90 -0.62 -0.73 0.00 -0.62 0.00 0.00 57.03 55.96 2d2m h ASP 78 Cb 3.45 -0.27 -0.22 0.00 0.18 0.00 0.00 39.33 42.47 2d2m h ASP 78 CO -0.12 1.39 0.14 -0.62 -3.12 0.00 0.00 179.24 176.90 2d2m s ASP 79 N -7.04 6.39 0.12 6.45 -1.08 0.70 -4.95 116.67 117.26 2d2m s ASP 79 Ca -0.11 -1.91 -0.23 0.00 -0.52 0.00 0.00 52.55 49.79 2d2m s ASP 79 Cb 0.08 -2.27 -0.05 0.00 -1.46 0.00 0.00 42.92 39.22 2d2m s ASP 79 CO 0.90 -0.92 1.68 0.58 0.52 0.00 0.00 175.17 177.92 2d2m h VAL 80 N 5.61 0.64 -0.54 1.11 2.07 -1.78 -2.18 116.25 121.19 2d2m h VAL 80 Ca -0.13 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.49 2d2m h VAL 80 Cb 1.07 0.64 -0.11 0.00 -1.52 0.00 0.00 31.29 31.37 2d2m h VAL 80 CO 1.00 0.00 -0.23 -0.65 0.02 0.00 0.00 177.57 177.71 2d2m h PRO 81 N -0.19 -0.10 -0.64 1.57 0.11 -1.93 0.35 132.00 131.17 2d2m h PRO 81 Ca 0.07 0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.11 2d2m h PRO 81 Cb 0.29 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 2d2m h PRO 81 CO -0.19 -0.07 0.10 0.28 -0.21 0.00 0.00 178.00 177.91 2d2m h VAL 82 N -0.10 1.26 -0.32 3.15 2.07 -1.90 -2.79 116.25 117.62 2d2m h VAL 82 Ca 0.25 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 66.79 2d2m h VAL 82 Cb 0.49 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 2d2m h VAL 82 CO -0.61 0.38 0.09 0.25 0.02 0.00 0.00 177.57 177.70 2d2m h LEU 83 N 0.98 0.07 -0.13 2.57 5.85 -0.56 0.70 115.31 124.79 2d2m h LEU 83 Ca 0.19 0.04 0.04 0.00 0.84 0.00 0.00 57.88 59.00 2d2m h LEU 83 Cb 0.43 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.44 2d2m h LEU 83 CO 0.01 0.07 -0.40 0.78 -0.34 0.00 0.00 178.44 178.57 2d2m h ASN 84 N 0.21 -1.25 -0.96 1.25 -0.26 -0.73 0.29 115.58 114.13 2d2m h ASN 84 Ca 0.15 0.17 0.12 0.00 -0.56 0.00 0.00 56.30 56.18 2d2m h ASN 84 Cb 0.14 0.51 -0.08 0.00 -1.06 0.00 0.00 38.32 37.83 2d2m h ASN 84 CO -0.17 -0.41 0.59 0.00 -1.06 0.00 0.00 177.43 176.37 2d2m h ALA 85 N 0.18 1.44 -0.22 -0.83 0.00 -1.18 0.36 119.26 119.01 2d2m h ALA 85 Ca 0.08 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2d2m h ALA 85 Cb 0.61 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2d2m h ALA 85 CO -0.39 0.17 0.07 -0.07 0.00 0.00 0.00 179.25 179.03 2d2m h LEU 86 N 0.92 0.31 -1.33 0.00 3.38 0.70 -2.51 115.31 116.78 2d2m h LEU 86 Ca 0.48 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.20 2d2m h LEU 86 Cb 0.50 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2d2m h LEU 86 CO -0.27 0.42 -0.12 -0.07 0.09 0.00 0.00 178.44 178.49 2d2m h LEU 87 N 0.18 0.29 0.29 1.67 3.38 0.95 -2.49 115.31 119.58 2d2m h LEU 87 Ca 0.07 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2d2m h LEU 87 Cb 0.22 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2d2m h LEU 87 CO -0.00 0.44 -0.14 0.00 0.09 0.00 0.00 178.44 178.83 2d2m h ALA 88 N 1.60 -0.39 0.24 1.53 0.00 -0.07 0.35 119.26 122.53 2d2m h ALA 88 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2d2m h ALA 88 Cb 0.39 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2d2m h ALA 88 CO 0.02 -0.71 -0.24 -0.09 0.00 0.00 0.00 179.25 178.23 2d2m h ARG 89 N -0.41 -0.50 -0.46 0.00 9.65 -1.28 -0.77 114.38 120.62 2d2m h ARG 89 Ca -0.04 0.03 0.09 0.00 -1.10 0.00 0.00 59.98 58.97 2d2m h ARG 89 Cb 0.31 0.11 -0.09 0.00 -1.39 0.00 0.00 29.97 28.91 2d2m h ARG 89 CO 0.06 -0.33 -0.17 -0.07 2.80 0.00 0.00 179.97 182.26 2d2m h LEU 90 N -0.52 -0.60 -0.65 3.80 3.38 -1.33 -0.07 115.31 119.32 2d2m h LEU 90 Ca -0.00 0.16 0.13 0.00 0.09 0.00 0.00 57.88 58.25 2d2m h LEU 90 Cb 0.48 0.35 -0.10 0.00 0.09 0.00 0.00 40.66 41.48 2d2m h LEU 90 CO -0.05 -0.21 0.13 -1.13 0.09 0.00 0.00 178.44 177.27 2d2m h ASN 91 N -0.07 -0.02 0.71 -0.43 -0.73 0.37 0.41 115.58 115.83 2d2m h ASN 91 Ca 0.22 0.13 0.00 0.00 1.87 0.00 0.00 56.30 58.52 2d2m h ASN 91 Cb 0.41 0.18 0.00 0.00 0.27 0.00 0.00 38.32 39.18 2d2m h ASN 91 CO -0.51 -0.02 0.00 -1.54 -0.37 0.00 0.00 177.43 174.99 2d2m n SER 92 N -5.15 0.31 -0.22 1.15 3.41 -0.18 -0.65 113.62 112.29 2d2m n SER 92 Ca 0.11 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.41 2d2m n SER 92 Cb 0.37 -0.64 0.29 0.00 -0.26 0.00 0.00 64.21 63.97 2d2m n SER 92 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d2m n GLN 93 N -1.84 0.69 0.00 4.33 6.02 0.14 -3.63 117.38 123.10 2d2m n GLN 93 Ca 0.03 -0.44 0.00 0.00 -0.01 0.00 0.00 57.00 56.58 2d2m n GLN 93 Cb 0.23 -1.49 -0.00 0.00 1.02 0.00 0.00 30.24 30.00 2d2m n GLN 93 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2d2m n HIS 94 N -0.77 0.00 -0.01 1.08 8.25 -0.79 -4.67 115.22 118.31 2d2m n HIS 94 Ca 0.10 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.66 2d2m n HIS 94 Cb 0.36 0.00 0.51 0.00 1.12 0.00 0.00 29.99 31.98 2d2m n HIS 94 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 2d2m h ASP 95 N 0.01 0.33 0.07 0.41 3.58 -0.95 -3.22 116.42 116.66 2d2m h ASP 95 Ca 0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 2d2m h ASP 95 Cb 0.01 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 40.99 2d2m h ASP 95 CO 0.00 0.21 -0.03 0.28 -2.88 0.00 0.00 179.24 176.82 2d2m h SER 96 N 0.37 -0.08 -1.64 2.28 0.02 -1.83 -3.47 113.55 109.20 2d2m h SER 96 Ca 0.20 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.53 2d2m h SER 96 Cb 0.33 0.02 0.14 0.00 0.14 0.00 0.00 62.40 63.04 2d2m h SER 96 CO -0.05 0.24 -0.71 0.54 -1.14 0.00 0.00 176.83 175.71 2d2m n ARG 97 N -3.94 0.14 -0.67 3.45 3.00 -1.22 -4.78 116.66 112.64 2d2m n ARG 97 Ca -0.01 0.05 -0.07 0.00 -0.01 0.00 0.00 57.85 57.81 2d2m n ARG 97 Cb 0.04 -1.11 0.01 0.00 0.00 0.00 0.00 32.46 31.40 2d2m n ARG 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2d2m n GLY 98 N 2.12 3.18 3.67 -0.13 0.00 -1.26 -4.94 105.19 107.82 2d2m n GLY 98 Ca 0.13 -0.47 -0.50 0.00 0.00 0.00 0.00 46.02 45.18 2d2m n GLY 98 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2d2m n ILE 99 N 1.02 0.25 -2.19 -0.61 2.08 -1.26 -4.93 119.36 113.72 2d2m n ILE 99 Ca 0.13 -0.04 -0.39 0.00 0.56 0.00 0.00 62.75 63.01 2d2m n ILE 99 Cb 0.53 -1.48 -0.01 0.00 -0.75 0.00 0.00 39.64 37.94 2d2m n ILE 99 CO 0.00 0.00 0.00 -2.84 0.56 0.00 0.00 176.55 174.27 2d2m s PRO 100 N 2.32 3.98 0.18 0.38 0.02 -1.26 -4.94 135.00 135.68 2d2m s PRO 100 Ca 0.88 1.97 -0.15 0.00 0.02 0.00 0.00 61.00 63.72 2d2m s PRO 100 Cb -0.79 -2.68 0.15 0.00 0.02 0.00 0.00 34.50 31.19 2d2m s PRO 100 CO 0.48 -0.42 1.70 0.00 -0.33 0.00 0.00 177.00 178.44 2d2m h ALA 101 N 2.60 0.44 0.00 -1.55 0.00 -1.99 0.19 119.26 118.95 2d2m h ALA 101 Ca -0.49 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2d2m h ALA 101 Cb 1.24 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2d2m h ALA 101 CO 0.62 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.51 2d2m n ALA 102 N -2.56 1.74 -0.09 0.00 0.00 -1.26 -3.25 120.51 115.09 2d2m n ALA 102 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.29 2d2m n ALA 102 Cb 0.23 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.56 2d2m n ALA 102 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2d2m h GLY 103 N 2.68 0.00 0.98 0.00 0.00 -0.99 -3.30 103.07 102.44 2d2m h GLY 103 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 2d2m h GLY 103 CO 0.00 0.00 0.33 -0.97 0.00 0.00 0.00 176.54 175.90 2d2m h TYR 104 N -1.00 0.63 -0.53 5.60 -1.99 -1.71 0.75 116.97 118.71 2d2m h TYR 104 Ca -0.22 0.02 0.08 0.00 2.00 0.00 0.00 58.73 60.61 2d2m h TYR 104 Cb 1.17 -0.21 -0.07 0.00 2.00 0.00 0.00 36.73 39.62 2d2m h TYR 104 CO 0.15 0.39 0.16 -1.35 -0.00 0.00 0.00 178.16 177.51 2d2m h PRO 105 N 0.67 0.31 0.39 4.88 0.11 -1.75 0.16 132.00 136.78 2d2m h PRO 105 Ca 0.19 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 2d2m h PRO 105 Cb -0.06 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 30.98 2d2m h PRO 105 CO -0.05 0.21 -0.20 0.00 -0.21 0.00 0.00 178.00 177.75 2d2m h ALA 106 N 1.38 -0.54 -0.39 -0.75 0.00 -1.49 -1.48 119.26 115.99 2d2m h ALA 106 Ca 0.26 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.14 2d2m h ALA 106 Cb 0.33 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 2d2m h ALA 106 CO -0.30 -0.80 -0.14 0.35 0.00 0.00 0.00 179.25 178.35 2d2m h PHE 107 N -0.54 -0.34 -0.95 0.00 3.57 -0.24 0.12 116.94 118.56 2d2m h PHE 107 Ca -0.05 0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.58 2d2m h PHE 107 Cb 0.42 0.21 -0.07 0.00 2.79 0.00 0.00 35.95 39.30 2d2m h PHE 107 CO -0.05 -0.22 0.61 0.28 -2.23 0.00 0.00 178.31 176.69 2d2m h VAL 108 N -0.06 0.99 -0.59 1.41 2.07 -0.51 0.26 116.25 119.81 2d2m h VAL 108 Ca 0.19 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 67.28 2d2m h VAL 108 Cb 0.36 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 2d2m h VAL 108 CO -0.44 0.18 -0.01 0.00 0.02 0.00 0.00 177.57 177.33 2d2m h ALA 109 N 1.53 0.87 -0.37 1.67 0.00 0.04 -0.35 119.26 122.64 2d2m h ALA 109 Ca 0.44 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 2d2m h ALA 109 Cb 0.37 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2d2m h ALA 109 CO -0.20 0.66 -0.39 0.77 0.00 0.00 0.00 179.25 180.09 2d2m h SER 110 N 0.95 0.97 0.34 0.00 0.02 0.25 -0.80 113.55 115.27 2d2m h SER 110 Ca 0.17 -0.44 -0.02 0.00 -0.84 0.00 0.00 61.79 60.66 2d2m h SER 110 Cb 0.56 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2d2m h SER 110 CO 0.03 1.24 -0.17 0.00 -1.14 0.00 0.00 176.83 176.79 2d2m h ALA 111 N 0.81 -0.73 -1.09 3.77 0.00 -0.41 0.26 119.26 121.86 2d2m h ALA 111 Ca 0.06 -0.10 0.32 0.00 0.00 0.00 0.00 54.91 55.18 2d2m h ALA 111 Cb 0.98 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 2d2m h ALA 111 CO 0.09 -0.70 0.89 0.82 0.00 0.00 0.00 179.25 180.36 2d2m h ILE 112 N -0.68 0.29 -0.01 0.00 2.04 -1.14 0.80 117.51 118.81 2d2m h ILE 112 Ca -0.05 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 2d2m h ILE 112 Cb 0.35 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2d2m h ILE 112 CO 0.08 0.00 -0.19 -1.28 0.00 0.00 0.00 178.15 176.76 2d2m h SER 113 N 0.00 0.19 0.68 1.72 0.87 -0.87 -3.05 113.55 113.09 2d2m h SER 113 Ca 0.52 -0.74 -0.03 0.00 -1.23 0.00 0.00 61.79 60.31 2d2m h SER 113 Cb 2.30 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 64.20 2d2m h SER 113 CO -0.01 0.90 -0.43 0.00 -0.53 0.00 0.00 176.83 176.76 2d2m h ALA 114 N 0.29 -1.22 -0.95 6.23 0.00 0.42 -2.12 119.26 121.90 2d2m h ALA 114 Ca -0.02 -0.22 0.29 0.00 0.00 0.00 0.00 54.91 54.97 2d2m h ALA 114 Cb 0.91 0.56 -0.16 0.00 0.00 0.00 0.00 17.79 19.11 2d2m h ALA 114 CO 0.04 -1.19 0.33 0.28 0.00 0.00 0.00 179.25 178.71 2d2m h VAL 115 N -1.05 0.20 0.00 0.00 2.07 -1.23 0.14 116.25 116.38 2d2m h VAL 115 Ca -0.09 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 2d2m h VAL 115 Cb 0.84 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2d2m h VAL 115 CO 0.08 0.03 -0.00 -0.09 0.02 0.00 0.00 177.57 177.61 2d2m h ARG 116 N 0.16 -0.00 -0.33 1.57 2.43 -1.35 0.47 114.38 117.33 2d2m h ARG 116 Ca 0.65 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.79 2d2m h ARG 116 Cb 1.46 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.99 2d2m h ARG 116 CO -0.71 0.02 0.06 0.00 -1.51 0.00 0.00 179.97 177.82 2d2m h ALA 117 N 0.98 1.49 -0.01 2.80 0.00 -0.17 0.19 119.26 124.54 2d2m h ALA 117 Ca -0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2d2m h ALA 117 Cb 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2d2m h ALA 117 CO 0.00 0.38 -0.09 1.15 0.00 0.00 0.00 179.25 180.69 2d2m h THR 118 N 0.48 1.53 -0.01 0.00 2.02 -0.35 -3.24 112.91 113.34 2d2m h THR 118 Ca 0.11 -1.69 0.00 0.00 0.77 0.00 0.00 66.41 65.60 2d2m h THR 118 Cb 0.22 2.62 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 2d2m h THR 118 CO -0.00 0.45 -0.05 1.33 0.37 0.00 0.00 175.52 177.62 2d2m n VAL 119 N -4.67 0.00 -0.30 3.16 0.24 0.16 -4.91 118.33 112.02 2d2m n VAL 119 Ca -0.09 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 2d2m n VAL 119 Cb 0.39 0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 2d2m n VAL 119 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2d2m n GLY 120 N 1.17 -3.34 2.01 7.63 0.00 0.65 -4.51 105.19 108.82 2d2m n GLY 120 Ca 0.18 -1.05 -0.06 0.00 0.00 0.00 0.00 46.02 45.09 2d2m n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d2m n ALA 121 N -0.89 4.21 -1.24 4.61 0.00 -1.20 -4.69 120.51 121.30 2d2m n ALA 121 Ca 0.00 -0.87 -0.42 0.00 0.00 0.00 0.00 53.44 52.15 2d2m n ALA 121 Cb 0.00 -2.01 -0.04 0.00 0.00 0.00 0.00 19.45 17.40 2d2m n ALA 121 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2d2m n ARG 122 N 2.36 1.80 -3.23 0.00 1.85 -1.26 -3.88 116.66 114.30 2d2m n ARG 122 Ca 0.20 -1.97 -0.15 0.00 -1.00 0.00 0.00 57.85 54.93 2d2m n ARG 122 Cb 0.54 -2.97 0.07 0.00 -1.05 0.00 0.00 32.46 29.05 2d2m n ARG 122 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2d2m n SER 123 N 7.04 -2.85 -4.68 2.89 7.64 -1.26 -4.89 113.62 117.51 2d2m n SER 123 Ca 0.50 -0.50 -0.46 0.00 1.01 0.00 0.00 58.87 59.42 2d2m n SER 123 Cb 0.39 -4.30 -0.04 0.00 -1.01 0.00 0.00 64.21 59.25 2d2m n SER 123 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2d2m n PHE 124 N -3.81 2.37 -2.59 1.43 7.35 -1.25 -4.88 117.46 116.09 2d2m n PHE 124 Ca -0.18 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.09 2d2m n PHE 124 Cb 0.62 -2.66 -0.01 0.00 0.35 0.00 0.00 39.48 37.78 2d2m n PHE 124 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2d2m s ASP 125 N 3.20 6.76 0.33 -2.13 3.68 -1.26 -4.81 116.67 122.44 2d2m s ASP 125 Ca 0.88 -2.22 0.05 0.00 2.13 0.00 0.00 52.55 53.38 2d2m s ASP 125 Cb -0.64 -2.57 0.68 0.00 -1.45 0.00 0.00 42.92 38.94 2d2m s ASP 125 CO 0.46 -1.24 1.90 0.78 0.13 0.00 0.00 175.17 177.20 2d2m h ASN 126 N 8.10 0.77 -0.56 -0.34 4.21 -1.99 -0.39 115.58 125.38 2d2m h ASN 126 Ca 0.39 0.02 -0.05 0.00 1.21 0.00 0.00 56.30 57.87 2d2m h ASN 126 Cb 0.90 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 37.94 2d2m h ASN 126 CO 1.45 0.45 0.15 0.44 -1.29 0.00 0.00 177.43 178.63 2d2m h ASP 127 N 0.85 0.83 -0.24 5.81 5.19 -1.98 0.29 116.42 127.16 2d2m h ASP 127 Ca 0.41 -0.22 -0.04 0.00 -0.62 0.00 0.00 57.03 56.55 2d2m h ASP 127 Cb 0.43 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 2d2m h ASP 127 CO -0.17 0.83 -0.02 0.00 -3.12 0.00 0.00 179.24 176.76 2d2m h ALA 128 N 1.03 0.33 -0.09 3.45 0.00 -1.72 0.33 119.26 122.59 2d2m h ALA 128 Ca 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2d2m h ALA 128 Cb 0.32 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2d2m h ALA 128 CO -0.00 0.08 0.02 -1.49 0.00 0.00 0.00 179.25 177.86 2d2m h TRP 129 N 0.20 0.16 -0.05 0.00 4.06 -0.95 -1.38 115.95 117.98 2d2m h TRP 129 Ca 0.07 -0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.99 2d2m h TRP 129 Cb 0.45 -0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 28.57 2d2m h TRP 129 CO 0.04 0.33 0.02 -0.91 -3.56 0.00 0.00 178.44 174.36 2d2m h ASN 130 N -0.07 0.08 -0.97 -3.49 2.35 -0.42 1.03 115.58 114.09 2d2m h ASN 130 Ca 0.03 -0.22 0.20 0.00 -0.55 0.00 0.00 56.30 55.76 2d2m h ASN 130 Cb 0.26 -0.02 -0.09 0.00 0.05 0.00 0.00 38.32 38.52 2d2m h ASN 130 CO 0.00 0.28 0.61 -1.28 -1.65 0.00 0.00 177.43 175.39 2d2m h SER 131 N -0.12 0.63 0.15 5.81 0.87 -0.31 0.68 113.55 121.27 2d2m h SER 131 Ca 0.02 0.07 -0.35 0.00 -1.23 0.00 0.00 61.79 60.30 2d2m h SER 131 Cb 0.22 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2d2m h SER 131 CO -0.00 0.24 -1.84 0.00 -0.53 0.00 0.00 176.83 174.70 2d2m h MET 133 N 0.05 0.00 0.01 0.00 2.07 0.16 -1.60 114.93 115.63 2d2m h MET 133 Ca -0.38 0.00 -0.27 0.00 -2.07 0.00 0.00 59.70 56.98 2d2m h MET 133 Cb 2.04 0.00 0.02 0.00 -1.87 0.00 0.00 31.60 31.79 2d2m h MET 133 CO 0.13 0.00 -1.06 -0.91 1.07 0.00 0.00 176.91 176.13 2d2m h ASN 134 N 0.00 0.89 -0.62 1.22 -0.26 -1.00 -2.51 115.58 113.30 2d2m h ASN 134 Ca 0.00 -0.72 0.12 0.00 -0.56 0.00 0.00 56.30 55.14 2d2m h ASN 134 Cb 0.02 -0.27 -0.04 0.00 -1.06 0.00 0.00 38.32 36.97 2d2m h ASN 134 CO -0.00 1.53 0.42 -0.61 -1.06 0.00 0.00 177.43 177.70 2d2m h GLN 135 N 0.37 0.33 0.21 0.81 4.15 -1.27 -2.04 115.11 117.67 2d2m h GLN 135 Ca -0.13 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.26 2d2m h GLN 135 Cb 1.72 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 29.34 2d2m h GLN 135 CO 0.21 0.22 -0.10 0.82 -1.93 0.00 0.00 178.83 178.04 2d2m h ILE 136 N 0.33 0.00 -0.89 2.39 2.04 -1.30 -3.33 117.51 116.76 2d2m h ILE 136 Ca 0.29 -0.23 0.24 0.00 1.00 0.00 0.00 64.86 66.16 2d2m h ILE 136 Cb 0.69 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.62 2d2m h ILE 136 CO -0.07 0.00 0.12 0.58 0.00 0.00 0.00 178.15 178.78 2d2m h VAL 137 N -0.51 0.21 -0.95 1.67 2.07 -1.28 -1.41 116.25 116.05 2d2m h VAL 137 Ca -0.03 -0.04 0.25 0.00 0.82 0.00 0.00 66.70 67.70 2d2m h VAL 137 Cb 0.22 0.09 -0.18 0.00 -1.52 0.00 0.00 31.29 29.90 2d2m h VAL 137 CO 0.05 0.02 -0.00 0.28 0.02 0.00 0.00 177.57 177.93 2d2m h SER 138 N 0.11 -0.51 1.04 0.57 0.02 -1.48 0.58 113.55 113.89 2d2m h SER 138 Ca 0.54 0.27 -0.07 0.00 -0.84 0.00 0.00 61.79 61.70 2d2m h SER 138 Cb 1.10 0.48 -0.01 0.00 0.14 0.00 0.00 62.40 64.11 2d2m h SER 138 CO -0.75 -0.32 -0.32 1.23 -1.14 0.00 0.00 176.83 175.52 2d2m h GLY 139 N 0.03 0.00 0.00 -3.77 0.00 -1.39 -2.90 103.07 95.04 2d2m h GLY 139 Ca 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.85 2d2m h GLY 139 CO -0.89 0.00 -0.40 -2.22 0.00 0.00 0.00 176.54 173.02 2d2m h ILE 140 N 0.00 0.31 0.00 2.60 2.04 0.03 -3.40 117.51 119.09 2d2m h ILE 140 Ca -0.00 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.55 2d2m h ILE 140 Cb 0.93 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 2d2m h ILE 140 CO 0.04 0.11 0.00 -1.54 0.00 0.00 0.00 178.15 176.76 2d2m n SER 141 N -4.64 0.00 0.00 1.72 3.41 0.24 -4.40 113.62 109.95 2d2m n SER 141 Ca -0.09 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 2d2m n SER 141 Cb 0.26 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 2d2m n SER 141 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49